SCHEMBL21865562

SCHEMBL21865562

CCN(CCNc1cc(Cl)ccc1C(=O)OC)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 6/20 0.41
GLA P06280 3/20 0.41
GAA P10253 2/20 0.41
ABL1 P00519 1/20 0.40
AHCY P23526 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.37
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21865387 0.90 ALDH1A1 (0.46) ALDH1A1HTTMAPTL3MBTL1KDM4E
SCHEMBL21865673 0.83 AHCY (0.40) ALDH1A1HTTMAPTL3MBTL1KDM4E
SCHEMBL29835255 0.82 ALDH1A1 (0.42) ALDH1A1HTTMAPTL3MBTL1KDM4E
SCHEMBL21865672 0.82 ALDH1A1 (0.42) ALDH1A1HTTMAPTL3MBTL1KDM4E
SCHEMBL29835216 0.81 MAPT (0.50) ALDH1A1HTTMAPTL3MBTL1AHCY
SCHEMBL21865558 0.80 ABL1 (0.40) ALDH1A1HTTKDM4EGLAGAA
SCHEMBL15636023 0.77 ABL1 (0.54) ALDH1A1HTTMAPTL3MBTL1KDM4E
SCHEMBL19545793 0.76 STK17B (0.47) ALDH1A1HTTMAPTKDM4EGLA
SCHEMBL3531700 0.75 ATR (0.53) ALDH1A1HTTMAPTKDM4EGLA
SCHEMBL29835191 0.75 ABL1 (0.46) ALDH1A1HTTMAPTKDM4EGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020052509-A1 SULFONAMIDE COMPOUND SERVING AS SODIUM CHANNEL BLOCKER AND USES THEREOF 成都康弘药业集团股份有限公司 2020-03-19 WO disclosed